Home Other Building Blocks 2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID

2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID

CAS No.:
895-45-4
Catalog Number:
AG003YL7
Molecular Formula:
C14H9F3O2S
Molecular Weight:
298.2803
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Product Description
Catalog Number:
AG003YL7
Chemical Name:
2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID
CAS Number:
895-45-4
Molecular Formula:
C14H9F3O2S
Molecular Weight:
298.2803
MDL Number:
MFCD06248910
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]sulfanylbenzoic acid
InChI:
InChI=1S/C14H9F3O2S/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19/h1-8H,(H,18,19)
InChI Key:
CXYQQXOGXPPFGM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Sc1ccc(cc1)C(F)(F)F
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.028g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.279g/mol
Monoisotopic Mass:
298.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties